UCSF

ZINC32086601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.01 -0.45 -40.76 4 6 1 73 324.445 9
Hi High (pH 8-9.5) 0.00 1.24 -31.65 4 6 1 72 324.445 9
Mid Mid (pH 6-8) 0.01 1.65 -116.61 5 6 2 74 325.453 9
Lo Low (pH 4.5-6) 0.01 4.05 -175.02 6 6 3 75 326.461 9

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )